SCHEMBL4845604

SCHEMBL4845604

COc1ccc2c(c1)/C(=C/C(=O)c1ccc(NC(=O)c3c(-c4c(Cl)cccc4Cl)noc3C)cc1)NC(C)(C)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
GHSR Q92847 2/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4845610 1.00 PTGS2 (0.54) PTGS2MEN1KMT2APOLBCA1
SCHEMBL4835153 0.96 TP53 (0.52) PTGS2MEN1KMT2APOLBCA1
SCHEMBL4835145 0.96 TP53 (0.52) PTGS2MEN1KMT2APOLBCA1
SCHEMBL4835875 0.94 PTGS2 (0.53) PTGS2MEN1KMT2APOLBCYP1A2
SCHEMBL4835862 0.94 PTGS2 (0.53) PTGS2MEN1KMT2APOLBCYP1A2
SCHEMBL4839123 0.94 TSHR (0.53) PTGS2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4839130 0.94 TSHR (0.53) PTGS2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4843161 0.90 TSHR (0.50) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4843170 0.90 TSHR (0.50) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4834859 0.90 LMNA (0.49) PTGS2MEN1KMT2APOLBCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 PTGS2 392/4885MEN1 1230/4885KMT2A 4642/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.